null Mon 24 Dec 08:02:34 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir Job ID is set to 2p97-1.6-parrot-noncs X-ray data file /users/emra500/scratch/Dataset/noncsChltofom/2p97-1.6-parrot-noncs.mtz Sequence file /users/emra500/scratch/Dataset/noncsChltofom/2p97-1.6-parrot-noncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2p97-1.6-parrot-noncs Accepted label: fp=FP Accepted label: sigfp=SIGFP Accepted label: phibest=hltofom.Phi_fom.phi Accepted label: fom=hltofom.Phi_fom.fom mtz labels taken: FP SIGFP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Parameter file /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2p97-1.6-parrot-noncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2p97-1.6-parrot-noncs ############### You are running ARP/wARP 8.0 ############### ============================================================ Please cite at least one of the publications below for the ARP/wARP application you are using: Lamzin VS, Wilson KS. (1993) Automated refinement of protein models. Acta Crystallogr D Biol Crystallogr. 49, 129-147 Morris RJ, Perrakis A. Lamzin VS. (2003) ARP/wARP and automatic interpretation of protein electron density maps. In Methods Enzymol. (Carter, C.W. & Sweet, R.M. eds.) 374, 229-244 Langer GG, Hazledine S, Wiegels T, Carolan C, Lamzin VS. (2013) Visual automated macromolecular model building. Acta Crystallogr D Biol Crystallogr. 69, 635-641 Use of Refmac is an essential part of model building with ARP/wARP. Please acknowledge the use of Refmac by citing the following publication: Murshudov GN, Skubak P, Lebedev AA, Pannu NS, Steiner RA, Nicholls RA, Winn MD, Long F, Vagin AA. (2011) REFMAC5 for the refinement of macromolecular crystal structures. Acta Crystallogr D Biol Crystallogr. 67, 355-367 ============================================================ Mon 24 Dec 08:02:38 GMT 2018 You are running ARP/wARP version 8.0 Entering warp_tracing.sh from COMMAND_LINE_SUBMISSION The working directory: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2p97-1.6-parrot-noncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2p97-1.6-parrot-noncs/arp_warp_classic.par ARP/wARP will run in subdirectory: temp_tracing Checking the estimated solvent content Computed solvent content is outside allowed range. Target number of residues/nucleotides is changed to 517 and 0 Target number of residues in the AU: 517 Target solvent content: 0.4524 Checking the provided sequence file Detected sequence length: 201 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 402 Adjusted target solvent content: 0.57 Input MTZ file: 2p97-1.6-parrot-noncs.mtz.cad Column labels for model refinement: FP SIGFP Column labels to obtain initial map: FP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Space group number: 94 Cell parameters: 103.080 103.080 96.168 90.000 90.000 90.000 Input sequence file: 2p97-1.6-parrot-noncs.fasta_lf Building free atoms model in initial map for 3216 target number of atoms Had to go as low as 0.50 sigma, to complete atoms search. ARP/wARP will be iterated with REFMAC5 50 refinement / model update cycles will be run in total. Atoms will be removed below 1.0 sigma in 2mFoDFc map and added above 3.2 sigma in mFoDFc map. Refmac Refinement Parameters 1 REFMAC cycle(s) with 1.0 1.0 fractional shifts damping in each cycle. Conditional restraints will be used Weight for restraints is set to AUTO Solvent mask correction will be used Anisotropic scaling with no bulk solvent correction Model Building Parameters Main chain tracing will take place every 5 refinement / model update cycles. Side chain docking will be performed from autobuilding cycle number 1 NCS extension will be performed at every building cycle. NCS restraints will be applied at each refinement cycle. Loops will be built when appropriate and at the last cycle Resolution range: 72.889 1.600 Wilson plot Bfac: 14.91 68679 reflections ( 99.97 % complete ) and 0 restraints for refining 3565 atoms. Observations/parameters ratio is 4.82 ------------------------------------------------------ Starting model: R = 0.3284 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2682 (Rfree = 0.000) for 3565 atoms. Found 230 (230 requested) and removed 102 (115 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 1.64 1.49 NCS extension: 0 residues added, 3693 seeds are put forward Round 1: 363 peptides, 19 chains. Longest chain 81 peptides. Score 0.856 Round 2: 382 peptides, 9 chains. Longest chain 147 peptides. Score 0.916 Round 3: 386 peptides, 7 chains. Longest chain 110 peptides. Score 0.926 Round 4: 382 peptides, 11 chains. Longest chain 159 peptides. Score 0.908 Round 5: 386 peptides, 7 chains. Longest chain 115 peptides. Score 0.926 Taking the results from Round 5 Chains 7, Residues 379, Estimated correctness of the model 99.7 % 7 chains (379 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 22 A Built loop between residues 135 A and 138 A Built loop between residues 147 A and 150 A Built loop between residues 15 B and 21 B Built loop between residues 89 B and 92 B 2 chains (395 residues) following loop building 2 chains (395 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 3689 restraints for refining 3756 atoms. 508 conditional restraints added. Observations/parameters ratio is 4.57 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2590 (Rfree = 0.000) for 3756 atoms. Found 215 (243 requested) and removed 64 (121 requested) atoms. Cycle 2: After refmac, R = 0.2234 (Rfree = 0.000) for 3907 atoms. Found 191 (252 requested) and removed 30 (126 requested) atoms. Cycle 3: After refmac, R = 0.2086 (Rfree = 0.000) for 4059 atoms. Found 137 (262 requested) and removed 45 (131 requested) atoms. Cycle 4: After refmac, R = 0.1999 (Rfree = 0.000) for 4140 atoms. Found 128 (268 requested) and removed 51 (134 requested) atoms. Cycle 5: After refmac, R = 0.1959 (Rfree = 0.000) for 4207 atoms. Found 128 (272 requested) and removed 63 (136 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 1.62 1.47 NCS extension: 11 residues added (191 deleted due to clashes), 4285 seeds are put forward Round 1: 381 peptides, 10 chains. Longest chain 97 peptides. Score 0.911 Round 2: 390 peptides, 6 chains. Longest chain 160 peptides. Score 0.931 Round 3: 389 peptides, 9 chains. Longest chain 160 peptides. Score 0.920 Round 4: 389 peptides, 5 chains. Longest chain 177 peptides. Score 0.934 Round 5: 389 peptides, 7 chains. Longest chain 180 peptides. Score 0.927 Taking the results from Round 4 Chains 5, Residues 384, Estimated correctness of the model 99.8 % 5 chains (384 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 38 A and 41 A Built loop between residues 129 A and 132 A Built loop between residues 15 B and 24 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 3887 restraints for refining 3984 atoms. 699 conditional restraints added. Observations/parameters ratio is 4.31 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2023 (Rfree = 0.000) for 3984 atoms. Found 215 (257 requested) and removed 48 (128 requested) atoms. Cycle 7: After refmac, R = 0.1990 (Rfree = 0.000) for 4146 atoms. Found 126 (268 requested) and removed 59 (134 requested) atoms. Cycle 8: After refmac, R = 0.1938 (Rfree = 0.000) for 4207 atoms. Found 124 (272 requested) and removed 55 (136 requested) atoms. Cycle 9: After refmac, R = 0.1898 (Rfree = 0.000) for 4272 atoms. Found 95 (276 requested) and removed 64 (138 requested) atoms. Cycle 10: After refmac, R = 0.1859 (Rfree = 0.000) for 4291 atoms. Found 117 (272 requested) and removed 56 (139 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 1.62 1.47 NCS extension: 0 residues added, 4352 seeds are put forward Round 1: 379 peptides, 9 chains. Longest chain 102 peptides. Score 0.914 Round 2: 391 peptides, 4 chains. Longest chain 177 peptides. Score 0.939 Round 3: 390 peptides, 9 chains. Longest chain 160 peptides. Score 0.920 Round 4: 392 peptides, 4 chains. Longest chain 177 peptides. Score 0.939 Round 5: 390 peptides, 8 chains. Longest chain 162 peptides. Score 0.924 Taking the results from Round 4 Chains 4, Residues 388, Estimated correctness of the model 99.8 % 4 chains (388 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 38 A and 41 A Built loop between residues 17 B and 24 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 3941 restraints for refining 4038 atoms. 753 conditional restraints added. Observations/parameters ratio is 4.25 ------------------------------------------------------ Cycle 11: After refmac, R = 0.1966 (Rfree = 0.000) for 4038 atoms. Found 224 (256 requested) and removed 56 (130 requested) atoms. Cycle 12: After refmac, R = 0.1929 (Rfree = 0.000) for 4202 atoms. Found 130 (266 requested) and removed 69 (135 requested) atoms. Cycle 13: After refmac, R = 0.1885 (Rfree = 0.000) for 4256 atoms. Found 118 (264 requested) and removed 75 (137 requested) atoms. Cycle 14: After refmac, R = 0.1854 (Rfree = 0.000) for 4286 atoms. Found 131 (260 requested) and removed 73 (138 requested) atoms. Cycle 15: After refmac, R = 0.1860 (Rfree = 0.000) for 4336 atoms. Found 103 (258 requested) and removed 76 (140 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 1.63 1.48 NCS extension: 0 residues added, 4363 seeds are put forward Round 1: 381 peptides, 7 chains. Longest chain 113 peptides. Score 0.923 Round 2: 389 peptides, 9 chains. Longest chain 107 peptides. Score 0.920 Round 3: 386 peptides, 7 chains. Longest chain 107 peptides. Score 0.926 Round 4: 387 peptides, 10 chains. Longest chain 94 peptides. Score 0.915 Round 5: 390 peptides, 4 chains. Longest chain 179 peptides. Score 0.938 Taking the results from Round 5 Chains 4, Residues 386, Estimated correctness of the model 99.8 % 4 chains (386 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 18 A and 22 A Built loop between residues 16 B and 24 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 4009 restraints for refining 4059 atoms. 821 conditional restraints added. Observations/parameters ratio is 4.23 ------------------------------------------------------ Cycle 16: After refmac, R = 0.1977 (Rfree = 0.000) for 4059 atoms. Found 235 (236 requested) and removed 47 (131 requested) atoms. Cycle 17: After refmac, R = 0.1951 (Rfree = 0.000) for 4241 atoms. Found 138 (247 requested) and removed 69 (137 requested) atoms. Cycle 18: After refmac, R = 0.1909 (Rfree = 0.000) for 4301 atoms. Found 115 (250 requested) and removed 75 (139 requested) atoms. Cycle 19: After refmac, R = 0.1887 (Rfree = 0.000) for 4331 atoms. Found 113 (246 requested) and removed 77 (140 requested) atoms. Cycle 20: After refmac, R = 0.1853 (Rfree = 0.000) for 4358 atoms. Found 122 (243 requested) and removed 83 (141 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 1.62 1.47 NCS extension: 0 residues added, 4397 seeds are put forward Round 1: 386 peptides, 9 chains. Longest chain 96 peptides. Score 0.918 Round 2: 386 peptides, 7 chains. Longest chain 160 peptides. Score 0.926 Round 3: 387 peptides, 10 chains. Longest chain 92 peptides. Score 0.915 Round 4: 387 peptides, 8 chains. Longest chain 140 peptides. Score 0.922 Round 5: 388 peptides, 8 chains. Longest chain 160 peptides. Score 0.923 Taking the results from Round 2 Chains 7, Residues 379, Estimated correctness of the model 99.7 % 7 chains (379 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 24 A Built loop between residues 70 A and 73 A Built loop between residues 128 A and 131 A Built loop between residues 17 B and 22 B Built loop between residues 38 B and 41 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 4038 restraints for refining 4101 atoms. 850 conditional restraints added. Observations/parameters ratio is 4.19 ------------------------------------------------------ Cycle 21: After refmac, R = 0.1973 (Rfree = 0.000) for 4101 atoms. Found 223 (223 requested) and removed 52 (132 requested) atoms. Cycle 22: After refmac, R = 0.1922 (Rfree = 0.000) for 4256 atoms. Found 140 (232 requested) and removed 64 (138 requested) atoms. Cycle 23: After refmac, R = 0.1896 (Rfree = 0.000) for 4325 atoms. Found 110 (234 requested) and removed 81 (139 requested) atoms. Cycle 24: After refmac, R = 0.1858 (Rfree = 0.000) for 4346 atoms. Found 110 (230 requested) and removed 72 (140 requested) atoms. Cycle 25: After refmac, R = 0.1839 (Rfree = 0.000) for 4377 atoms. Found 117 (226 requested) and removed 72 (141 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 1.62 1.47 NCS extension: 0 residues added, 4422 seeds are put forward Round 1: 388 peptides, 8 chains. Longest chain 107 peptides. Score 0.923 Round 2: 386 peptides, 9 chains. Longest chain 107 peptides. Score 0.918 Round 3: 390 peptides, 6 chains. Longest chain 127 peptides. Score 0.931 Round 4: 387 peptides, 10 chains. Longest chain 108 peptides. Score 0.915 Round 5: 389 peptides, 7 chains. Longest chain 127 peptides. Score 0.927 Taking the results from Round 3 Chains 6, Residues 384, Estimated correctness of the model 99.7 % 6 chains (384 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 24 A Built loop between residues 72 A and 74 A Built loop between residues 38 B and 41 B Built loop between residues 87 B and 90 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 4028 restraints for refining 4119 atoms. 840 conditional restraints added. Observations/parameters ratio is 4.17 ------------------------------------------------------ Cycle 26: After refmac, R = 0.1943 (Rfree = 0.000) for 4119 atoms. Found 207 (207 requested) and removed 46 (133 requested) atoms. Cycle 27: After refmac, R = 0.1925 (Rfree = 0.000) for 4267 atoms. Found 139 (215 requested) and removed 59 (138 requested) atoms. Cycle 28: After refmac, R = 0.1900 (Rfree = 0.000) for 4332 atoms. Found 133 (219 requested) and removed 62 (140 requested) atoms. Cycle 29: After refmac, R = 0.1879 (Rfree = 0.000) for 4393 atoms. Found 105 (222 requested) and removed 74 (142 requested) atoms. Cycle 30: After refmac, R = 0.1859 (Rfree = 0.000) for 4419 atoms. Found 118 (217 requested) and removed 59 (143 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 1.62 1.47 NCS extension: 0 residues added, 4478 seeds are put forward Round 1: 386 peptides, 9 chains. Longest chain 96 peptides. Score 0.918 Round 2: 388 peptides, 8 chains. Longest chain 160 peptides. Score 0.923 Round 3: 389 peptides, 7 chains. Longest chain 128 peptides. Score 0.927 Round 4: 389 peptides, 6 chains. Longest chain 160 peptides. Score 0.931 Round 5: 387 peptides, 8 chains. Longest chain 104 peptides. Score 0.922 Taking the results from Round 4 Chains 6, Residues 383, Estimated correctness of the model 99.7 % 6 chains (383 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 24 A Built loop between residues 32 A and 35 A Built loop between residues 71 A and 74 A Built loop between residues 160 B and 163 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 4040 restraints for refining 4131 atoms. 852 conditional restraints added. Observations/parameters ratio is 4.16 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1958 (Rfree = 0.000) for 4131 atoms. Found 203 (203 requested) and removed 58 (133 requested) atoms. Cycle 32: After refmac, R = 0.1925 (Rfree = 0.000) for 4265 atoms. Found 157 (210 requested) and removed 47 (138 requested) atoms. Cycle 33: After refmac, R = 0.1887 (Rfree = 0.000) for 4362 atoms. Found 113 (214 requested) and removed 55 (141 requested) atoms. Cycle 34: After refmac, R = 0.1839 (Rfree = 0.000) for 4411 atoms. Found 108 (217 requested) and removed 59 (142 requested) atoms. Cycle 35: After refmac, R = 0.1820 (Rfree = 0.000) for 4451 atoms. Found 114 (213 requested) and removed 64 (144 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 1.62 1.47 NCS extension: 0 residues added, 4501 seeds are put forward Round 1: 385 peptides, 9 chains. Longest chain 107 peptides. Score 0.917 Round 2: 387 peptides, 7 chains. Longest chain 160 peptides. Score 0.926 Round 3: 386 peptides, 8 chains. Longest chain 109 peptides. Score 0.922 Round 4: 389 peptides, 7 chains. Longest chain 135 peptides. Score 0.927 Round 5: 383 peptides, 8 chains. Longest chain 160 peptides. Score 0.920 Taking the results from Round 4 Chains 7, Residues 382, Estimated correctness of the model 99.7 % 7 chains (382 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 24 A Built loop between residues 48 A and 51 A Built loop between residues 165 A and 168 A Built loop between residues 135 B and 138 B Built loop between residues 160 B and 163 B 2 chains (397 residues) following loop building 2 chains (397 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 4072 restraints for refining 4151 atoms. 876 conditional restraints added. Observations/parameters ratio is 4.14 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1953 (Rfree = 0.000) for 4151 atoms. Found 193 (193 requested) and removed 52 (134 requested) atoms. Cycle 37: After refmac, R = 0.1901 (Rfree = 0.000) for 4282 atoms. Found 131 (199 requested) and removed 57 (138 requested) atoms. Cycle 38: After refmac, R = 0.1863 (Rfree = 0.000) for 4350 atoms. Found 148 (202 requested) and removed 58 (140 requested) atoms. Cycle 39: After refmac, R = 0.1863 (Rfree = 0.000) for 4434 atoms. Found 101 (206 requested) and removed 92 (143 requested) atoms. Cycle 40: After refmac, R = 0.1812 (Rfree = 0.000) for 4431 atoms. Found 133 (201 requested) and removed 50 (143 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 1.62 1.47 NCS extension: 0 residues added, 4514 seeds are put forward Round 1: 388 peptides, 7 chains. Longest chain 149 peptides. Score 0.927 Round 2: 389 peptides, 7 chains. Longest chain 160 peptides. Score 0.927 Round 3: 389 peptides, 6 chains. Longest chain 160 peptides. Score 0.931 Round 4: 386 peptides, 8 chains. Longest chain 104 peptides. Score 0.922 Round 5: 382 peptides, 8 chains. Longest chain 160 peptides. Score 0.920 Taking the results from Round 3 Chains 6, Residues 383, Estimated correctness of the model 99.7 % 5 chains (379 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 38 A and 41 A Built loop between residues 16 B and 24 B Built loop between residues 128 B and 137 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 4156 restraints for refining 4165 atoms. 968 conditional restraints added. Observations/parameters ratio is 4.12 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1954 (Rfree = 0.000) for 4165 atoms. Found 188 (188 requested) and removed 51 (134 requested) atoms. Cycle 42: After refmac, R = 0.1916 (Rfree = 0.000) for 4294 atoms. Found 135 (195 requested) and removed 65 (139 requested) atoms. Cycle 43: After refmac, R = 0.1864 (Rfree = 0.000) for 4354 atoms. Found 133 (197 requested) and removed 55 (140 requested) atoms. Cycle 44: After refmac, R = 0.1852 (Rfree = 0.000) for 4429 atoms. Found 96 (200 requested) and removed 80 (143 requested) atoms. Cycle 45: After refmac, R = 0.1813 (Rfree = 0.000) for 4432 atoms. Found 134 (195 requested) and removed 68 (143 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 1.62 1.47 NCS extension: 0 residues added, 4498 seeds are put forward Round 1: 386 peptides, 6 chains. Longest chain 140 peptides. Score 0.929 Round 2: 386 peptides, 9 chains. Longest chain 160 peptides. Score 0.918 Round 3: 390 peptides, 6 chains. Longest chain 166 peptides. Score 0.931 Round 4: 388 peptides, 6 chains. Longest chain 106 peptides. Score 0.930 Round 5: 385 peptides, 7 chains. Longest chain 108 peptides. Score 0.925 Taking the results from Round 3 Last building cycle: Chain fragments will be rearranged Chains 7, Residues 384, Estimated correctness of the model 99.7 % 6 chains (383 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 18 A and 22 A Built loop between residues 37 A and 39 A Built loop between residues 16 B and 24 B Built loop between residues 32 B and 35 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 68679 reflections ( 99.97 % complete ) and 3188 restraints for refining 3122 atoms. Observations/parameters ratio is 5.50 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2670 (Rfree = 0.000) for 3122 atoms. Found 133 (133 requested) and removed 0 (133 requested) atoms. Cycle 47: After refmac, R = 0.2443 (Rfree = 0.000) for 3122 atoms. Found 101 (139 requested) and removed 0 (105 requested) atoms. Cycle 48: After refmac, R = 0.2260 (Rfree = 0.000) for 3122 atoms. Found 65 (143 requested) and removed 5 (108 requested) atoms. Cycle 49: After refmac, R = 0.2158 (Rfree = 0.000) for 3122 atoms. Found 38 (145 requested) and removed 4 (110 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 09:12:01 GMT 2018 Job finished. TimeTaking 69.45 Used memory is bytes: 4302632